(1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

C23H21Cl2N — CID 10691286

IUPAC(1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C23H21Cl2N/c1-26(15-16-7-3-2-4-8-16)23-14-20(18-9-5-6-10-19(18)23)17-11-12-21(24)22(25)13-17/h2-13,20,23H,14-15H2,1H3/t20-,23+/m0/s1
InChIKeyUDCVQVNMMCKETF-NZQKXSOJSA-N
MW382.33 g/mol
LogP6.70
Rot. Bonds4

About (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

(1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 10691286) has the molecular formula C23H21Cl2N and a molecular weight of 382.33 g/mol. Its IUPAC name is (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID10691286
Molecular FormulaC23H21Cl2N
Molecular Weight382.33 g/mol
Exact Mass381.11
IUPAC Name(1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C23H21Cl2N/c1-26(15-16-7-3-2-4-8-16)23-14-20(18-9-5-6-10-19(18)23)17-11-12-21(24)22(25)13-17/h2-13,20,23H,14-15H2,1H3/t20-,23+/m0/s1
InChIKeyUDCVQVNMMCKETF-NZQKXSOJSA-N
XLogP6.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Zicronapine
CID 11465618
Indatraline
CID 126280
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
CID 3703
Indatraline hydrochloride
CID 10314472
n-Methyl sertraline
CID 18642483
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-methyl-6,9-diaza-spiro[4.5]decane
CID 10810927
8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-methyl-5,8-diaza-spiro[3.5]nonane
CID 11794473
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
CID 11795296

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 10691286) is (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CN(Cc1ccccc1)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UDCVQVNMMCKETF-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H21Cl2N/c1-26(15-16-7-3-2-4-8-16)23-14-20(18-9-5-6-10-19(18)23)17-11-12-21(24)22(25)13-17/h2-13,20,23H,14-15H2,1H3/t20-,23+/m0/s1.
What are the key properties of (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 382.33 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10691286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).